2-[({2-[(1Z)-3-(Dimethylamino)-1-Propen-1-Yl]-4-Fluorophenyl}Sulfonyl)Amino]-5,6,7,8-Tetrahydro-1-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C22H25FN2O4S
IUPAC Name 6-[[2-[(z)-3-(dimethylamino)prop-1-enyl]-4-fluoro-phenyl]sulfonylamino]tetralin-5-carboxylic acid
Molecular Mass 432.508 g·mol−1
Heat of Formation -739.7 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 495.58 Å 3
Surface Area 398.6 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
  • 2-[[2-[(z)-3-dimethylaminoprop-1-enyl]-4-fluoro-phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
  • 2-[[2-[(z)-3-dimethylaminoprop-1-enyl]-4-fluorophenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
  • 6-[[2-[(z)-3-dimethylaminoprop-1-enyl]-4-fluoro-phenyl]sulfonylamino]tetralin-5-carboxylic acid
  • 6-[[2-[(z)-3-dimethylaminoprop-1-enyl]-4-fluorophenyl]sulfonylamino]-5-tetralincarboxylic acid
InChIKey CTZLIARLNXSXGL-ALCCZGGFSA-N
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